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Ligand

NameCHEMBL3234551
Molecular formulaC19H23FN4O
IUPAC name(3R)-N-[2-(4-fluorophenyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
Molecular weight342.418
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM50003303
Inchi KeyBIUQQORTCGYIOM-MRXNPFEDSA-N
Inchi IDInChI=1S/C19H23FN4O/c1-14-8-10-22-19(23-14)24-12-2-3-16(13-24)18(25)21-11-9-15-4-6-17(20)7-5-15/h4-8,10,16H,2-3,9,11-13H2,1H3,(H,21,25)/t16-/m1/s1
PubChem CID90654570
ChEMBLCHEMBL3234551
IUPHARN/A
BindingDB50003303
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
24738G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330
24739G-protein coupled bile acid receptor 1Q80SS6Gpbar1Mus musculus (Mouse)329

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